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CHEMBLOCK-ZINC04539543

 MMsINC code: MMs00555847
Type: Neutral
Formula: C15H10FNO2
SMILES:   Fc1ccc(cc1)-c1noc(c1)-c1ccccc1O
InChI:   InChI=1/C15H10FNO2/c16-11-7-5-10(6-8-11)13-9-15(19-17-13)12-3-1-2-4-14(12)18/h1-9,18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.248 g/mol  logS: -4.75462  SlogP: 3.8533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337768  Sterimol/B1: 2.24373  Sterimol/B2: 2.44741  Sterimol/B3: 3.56998
  Sterimol/B4: 5.46518  Sterimol/L: 15.7268 
 
 Surface and Volume Properties
  Accessible surface: 470.474  Positive charged surface: 231.21  Negative charged surface: 239.264  Volume: 234.125
  Hydrophobic surface: 397.249  Hydrophilic surface: 73.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.